Benzene and substituted derivatives
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1-Bromo-4-dodecylbenzene 90.0+%, TCI America™
CAS: 126930-72-1 Molecular Formula: C18H29Br Molecular Weight (g/mol): 325.334 MDL Number: MFCD00191386 InChI Key: RFFMRBISTZHCNY-UHFFFAOYSA-N Synonym: 4-dodecylbromobenzene,1-bromo-4-n-dodecylbenzene,benzene, 1-bromo-4-dodecyl,4-bromododecylbenzene,pubchem22735,acmc-209bby,1-bromo-4-dodecyl-benzene,ksc494g6d,4-n-dodecylbromobenzene PubChem CID: 15120506 IUPAC Name: 1-bromo-4-dodecylbenzene SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)Br
| PubChem CID | 15120506 |
|---|---|
| CAS | 126930-72-1 |
| Molecular Weight (g/mol) | 325.334 |
| MDL Number | MFCD00191386 |
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)Br |
| Synonym | 4-dodecylbromobenzene,1-bromo-4-n-dodecylbenzene,benzene, 1-bromo-4-dodecyl,4-bromododecylbenzene,pubchem22735,acmc-209bby,1-bromo-4-dodecyl-benzene,ksc494g6d,4-n-dodecylbromobenzene |
| IUPAC Name | 1-bromo-4-dodecylbenzene |
| InChI Key | RFFMRBISTZHCNY-UHFFFAOYSA-N |
| Molecular Formula | C18H29Br |
Methyl 4-Bromo-3-nitrobenzoate 98.0+%, TCI America™
CAS: 2363-16-8 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.04 MDL Number: MFCD00553089 InChI Key: BNNDHGPPQZVKMX-UHFFFAOYSA-N Synonym: 4-Bromo-3-nitrobenzoic Acid Methyl Ester PubChem CID: 2736829 IUPAC Name: methyl 4-bromo-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O
| PubChem CID | 2736829 |
|---|---|
| CAS | 2363-16-8 |
| Molecular Weight (g/mol) | 260.04 |
| MDL Number | MFCD00553089 |
| SMILES | COC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O |
| Synonym | 4-Bromo-3-nitrobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 4-bromo-3-nitrobenzoate |
| InChI Key | BNNDHGPPQZVKMX-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO4 |
Bis[3,5-dibromo-4-(2-hydroxyethoxy)phenyl] Sulfone 96.0+%, TCI America™
CAS: 53714-39-9 Molecular Formula: C16H14Br4O6S Molecular Weight (g/mol): 653.958 MDL Number: MFCD00152428 InChI Key: OFBQIWFJRDGFEK-UHFFFAOYSA-N Synonym: Bis[4-(2-hydroxyethoxy)-3,5-dibromophenyl] Sulfone PubChem CID: 104566 IUPAC Name: 2-[2,6-dibromo-4-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol SMILES: C1=C(C=C(C(=C1Br)OCCO)Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OCCO)Br
| PubChem CID | 104566 |
|---|---|
| CAS | 53714-39-9 |
| Molecular Weight (g/mol) | 653.958 |
| MDL Number | MFCD00152428 |
| SMILES | C1=C(C=C(C(=C1Br)OCCO)Br)S(=O)(=O)C2=CC(=C(C(=C2)Br)OCCO)Br |
| Synonym | Bis[4-(2-hydroxyethoxy)-3,5-dibromophenyl] Sulfone |
| IUPAC Name | 2-[2,6-dibromo-4-[3,5-dibromo-4-(2-hydroxyethoxy)phenyl]sulfonylphenoxy]ethanol |
| InChI Key | OFBQIWFJRDGFEK-UHFFFAOYSA-N |
| Molecular Formula | C16H14Br4O6S |
Methyl 2-Bromo-4-nitrobenzoate 98.0+%, TCI America™
CAS: 100959-22-6 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD07779271 InChI Key: XYMZAFDNPJLOTP-UHFFFAOYSA-N Synonym: 2-Bromo-4-nitrobenzoic Acid Methyl Ester PubChem CID: 15833211 IUPAC Name: methyl 2-bromo-4-nitrobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br
| PubChem CID | 15833211 |
|---|---|
| CAS | 100959-22-6 |
| Molecular Weight (g/mol) | 260.043 |
| MDL Number | MFCD07779271 |
| SMILES | COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br |
| Synonym | 2-Bromo-4-nitrobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-bromo-4-nitrobenzoate |
| InChI Key | XYMZAFDNPJLOTP-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO4 |
4-Bromo-4'-tert-butylbiphenyl 98.0+%, TCI America™
CAS: 162258-89-1 Molecular Formula: C16H17Br Molecular Weight (g/mol): 289.22 MDL Number: MFCD01321141 InChI Key: QYNWFBYWVPMMRL-UHFFFAOYSA-N Synonym: 4-bromo-4'-tert-butylbiphenyl,1,1'-biphenyl,4-bromo-4'-1,1-dimethylethyl,4-bromo-4'-tert-butyl-1,1'-biphenyl,acmc-209do3,4-bromo-4'-tertbutylbiphenyl,4'-bromo-4-tert-butyl-biphenyl,4-bromo-4/'-tert-butylbiphenyl,4-bromo-4-tert-butylbiphenyl,1-4-bromophenyl-4-tert-butylbenzene PubChem CID: 9971389 IUPAC Name: 4-bromo-4'-tert-butyl-1,1'-biphenyl SMILES: CC(C)(C)C1=CC=C(C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 9971389 |
|---|---|
| CAS | 162258-89-1 |
| Molecular Weight (g/mol) | 289.22 |
| MDL Number | MFCD01321141 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromo-4'-tert-butylbiphenyl,1,1'-biphenyl,4-bromo-4'-1,1-dimethylethyl,4-bromo-4'-tert-butyl-1,1'-biphenyl,acmc-209do3,4-bromo-4'-tertbutylbiphenyl,4'-bromo-4-tert-butyl-biphenyl,4-bromo-4/'-tert-butylbiphenyl,4-bromo-4-tert-butylbiphenyl,1-4-bromophenyl-4-tert-butylbenzene |
| IUPAC Name | 4-bromo-4'-tert-butyl-1,1'-biphenyl |
| InChI Key | QYNWFBYWVPMMRL-UHFFFAOYSA-N |
| Molecular Formula | C16H17Br |
4-(Methylsulfonyl)benzoic Acid 98.0+%, TCI America™
CAS: 4052-30-6 Molecular Formula: C8H8O4S Molecular Weight (g/mol): 200.208 MDL Number: MFCD00007564 InChI Key: AJBWNNKDUMXZLM-UHFFFAOYSA-N Synonym: 4-methylsulfonyl benzoic acid,p-methylsulfonylbenzoic acid,4-methanesulfonyl-benzoic acid,4-methylsulphonylbenzoic acid,4-methylsulphonyl benzoic acid,4-methanesulfonylbenzoic acid,benzoic acid, 4-methylsulfonyl,p-methylsulphonyl benzoic acid,4-methanesulfonyl benzoic acid PubChem CID: 77670 IUPAC Name: 4-methylsulfonylbenzoic acid SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 77670 |
|---|---|
| CAS | 4052-30-6 |
| Molecular Weight (g/mol) | 200.208 |
| MDL Number | MFCD00007564 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | 4-methylsulfonyl benzoic acid,p-methylsulfonylbenzoic acid,4-methanesulfonyl-benzoic acid,4-methylsulphonylbenzoic acid,4-methylsulphonyl benzoic acid,4-methanesulfonylbenzoic acid,benzoic acid, 4-methylsulfonyl,p-methylsulphonyl benzoic acid,4-methanesulfonyl benzoic acid |
| IUPAC Name | 4-methylsulfonylbenzoic acid |
| InChI Key | AJBWNNKDUMXZLM-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4S |
Ethyl 4-Nitrobenzoate 98.0+%, TCI America™
CAS: 99-77-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00007351 InChI Key: PHWSCBWNPZDYRI-UHFFFAOYSA-N Synonym: ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate PubChem CID: 7457 IUPAC Name: ethyl 4-nitrobenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 7457 |
|---|---|
| CAS | 99-77-4 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD00007351 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | ethyl p-nitrobenzoate,benzoic acid, 4-nitro-, ethyl ester,4-nitrobenzoic acid ethyl ester,ethyl nitrobenzoate, para ester,p-nitrobenzoic acid, ethyl ester,4-ethoxycarbonyl nitrobenzene,benzoic acid, p-nitro-, ethyl ester,ethyl-p-nitrobenzoate,unii-1och6y8nar,ethyl para-nitrobenzoate |
| IUPAC Name | ethyl 4-nitrobenzoate |
| InChI Key | PHWSCBWNPZDYRI-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
Methyl Phenyl Sulfone 97.0+%, TCI America™
CAS: 3112-85-4 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.199 MDL Number: MFCD00014741 InChI Key: JCDWETOKTFWTHA-UHFFFAOYSA-N Synonym: methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone PubChem CID: 18369 IUPAC Name: methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 18369 |
|---|---|
| CAS | 3112-85-4 |
| Molecular Weight (g/mol) | 156.199 |
| MDL Number | MFCD00014741 |
| SMILES | CS(=O)(=O)C1=CC=CC=C1 |
| Synonym | methyl phenyl sulfone,methylsulfonyl benzene,phenyl methyl sulfone,benzene, methylsulfonyl,sulfone, methyl phenyl,phenylsulfonyl methane,methylphenylsulfone,methylsulphonyl benzene,methanesulfonylbenzene,methyl phenyl sulphone |
| IUPAC Name | methylsulfonylbenzene |
| InChI Key | JCDWETOKTFWTHA-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
[Bis(trifluoroacetoxy)iodo]pentafluorobenzene 97.0+%, TCI America™
CAS: 14353-88-9 Molecular Formula: C10F11IO4 Molecular Weight (g/mol): 519.99 MDL Number: MFCD00191612 InChI Key: OQWAXRPJEPTTSZ-UHFFFAOYSA-N Synonym: Pentafluoro[bis(trifluoroacetoxy)iodo]benzene PubChem CID: 626316 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate SMILES: FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F
| PubChem CID | 626316 |
|---|---|
| CAS | 14353-88-9 |
| Molecular Weight (g/mol) | 519.99 |
| MDL Number | MFCD00191612 |
| SMILES | FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F |
| Synonym | Pentafluoro[bis(trifluoroacetoxy)iodo]benzene |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate |
| InChI Key | OQWAXRPJEPTTSZ-UHFFFAOYSA-N |
| Molecular Formula | C10F11IO4 |
1-Bromo-4-cyclohexylbenzene 97.0+%, TCI America™
CAS: 25109-28-8 Molecular Formula: C12H15Br Molecular Weight (g/mol): 239.156 InChI Key: LVIJLEREXMVRAN-UHFFFAOYSA-N Synonym: p-bromocyclohexylbenzene,1-brom-4-cyclohexylbenzol,zlchem 88,4-cyclohexylbromobenzene,4-bromophenylcyclohexane,acmc-1ccsm,4-bromo-1-cyclohexylbenzene,1-bromo-4-cyclohexyl-benzene,benzene, 1-bromo-4-cyclohexyl,lvijlerexmvran-uhfffaoysa PubChem CID: 90718 IUPAC Name: 1-bromo-4-cyclohexylbenzene SMILES: C1CCC(CC1)C2=CC=C(C=C2)Br
| PubChem CID | 90718 |
|---|---|
| CAS | 25109-28-8 |
| Molecular Weight (g/mol) | 239.156 |
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)Br |
| Synonym | p-bromocyclohexylbenzene,1-brom-4-cyclohexylbenzol,zlchem 88,4-cyclohexylbromobenzene,4-bromophenylcyclohexane,acmc-1ccsm,4-bromo-1-cyclohexylbenzene,1-bromo-4-cyclohexyl-benzene,benzene, 1-bromo-4-cyclohexyl,lvijlerexmvran-uhfffaoysa |
| IUPAC Name | 1-bromo-4-cyclohexylbenzene |
| InChI Key | LVIJLEREXMVRAN-UHFFFAOYSA-N |
| Molecular Formula | C12H15Br |
4-Bromophenyl Methyl Sulfone 98.0+%, TCI America™
CAS: 3466-32-8 Molecular Formula: C7H7BrO2S Molecular Weight (g/mol): 235.095 MDL Number: MFCD00025065 InChI Key: FJLFSYRGFJDJMQ-UHFFFAOYSA-N Synonym: 4-bromophenyl methyl sulfone,1-bromo-4-methylsulfonyl benzene,1-bromo-4-methanesulfonylbenzene,p-bromophenyl methyl sulfone,methyl 4-bromophenyl sulfone,4-bromophenyl methyl sulphone,benzene, 1-bromo-4-methylsulfonyl,4-bromophenylmethylsulfone,p-methyl benzenesulfobromide,sulfone, p-bromophenyl methyl PubChem CID: 77014 IUPAC Name: 1-bromo-4-methylsulfonylbenzene SMILES: CS(=O)(=O)C1=CC=C(C=C1)Br
| PubChem CID | 77014 |
|---|---|
| CAS | 3466-32-8 |
| Molecular Weight (g/mol) | 235.095 |
| MDL Number | MFCD00025065 |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)Br |
| Synonym | 4-bromophenyl methyl sulfone,1-bromo-4-methylsulfonyl benzene,1-bromo-4-methanesulfonylbenzene,p-bromophenyl methyl sulfone,methyl 4-bromophenyl sulfone,4-bromophenyl methyl sulphone,benzene, 1-bromo-4-methylsulfonyl,4-bromophenylmethylsulfone,p-methyl benzenesulfobromide,sulfone, p-bromophenyl methyl |
| IUPAC Name | 1-bromo-4-methylsulfonylbenzene |
| InChI Key | FJLFSYRGFJDJMQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrO2S |
5-Bromo-2-methylbenzoic Acid 98.0+%, TCI America™
CAS: 79669-49-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00267350 InChI Key: SEENCYZQHCUTSB-UHFFFAOYSA-N Synonym: 2-methyl-5-bromobenzoic acid,5-bromo-o-toluic acid,5-bromo-2-methyl-benzoic acid,5-bromo-2-methyl benzoic acid,synquest 2721-9-x8,benzoic acid, 5-bromo-2-methyl,pubchem4728,acmc-1bhwo,3-bromo-6-methylbenzoic acid,ksc497q7f PubChem CID: 346004 IUPAC Name: 5-bromo-2-methylbenzoic acid SMILES: CC1=CC=C(Br)C=C1C(O)=O
| PubChem CID | 346004 |
|---|---|
| CAS | 79669-49-1 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00267350 |
| SMILES | CC1=CC=C(Br)C=C1C(O)=O |
| Synonym | 2-methyl-5-bromobenzoic acid,5-bromo-o-toluic acid,5-bromo-2-methyl-benzoic acid,5-bromo-2-methyl benzoic acid,synquest 2721-9-x8,benzoic acid, 5-bromo-2-methyl,pubchem4728,acmc-1bhwo,3-bromo-6-methylbenzoic acid,ksc497q7f |
| IUPAC Name | 5-bromo-2-methylbenzoic acid |
| InChI Key | SEENCYZQHCUTSB-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
4-Bromo-1,2-phenylenediamine 96.0+%, TCI America™
CAS: 1575-37-7 Molecular Formula: C6H7BrN2 Molecular Weight (g/mol): 187.04 MDL Number: MFCD02660622 InChI Key: WIHHVKUARKTSBU-UHFFFAOYSA-N Synonym: 4-bromo-1,2-benzenediamine,4-bromo-1,2-diaminobenzene,4-bromo-o-phenylenediamine,1,2-diamino-4-bromobenzene,2-amino-4-bromoaniline,4-bromo-1,2-phenylenediamine,4-bromo-2-aminoaniline,1,2-benzenediamine, 4-bromo,2-amino-4-bromophenylamine,4-bromophenylene-1,2-diamine PubChem CID: 323593 IUPAC Name: 4-bromobenzene-1,2-diamine SMILES: NC1=CC=C(Br)C=C1N
| PubChem CID | 323593 |
|---|---|
| CAS | 1575-37-7 |
| Molecular Weight (g/mol) | 187.04 |
| MDL Number | MFCD02660622 |
| SMILES | NC1=CC=C(Br)C=C1N |
| Synonym | 4-bromo-1,2-benzenediamine,4-bromo-1,2-diaminobenzene,4-bromo-o-phenylenediamine,1,2-diamino-4-bromobenzene,2-amino-4-bromoaniline,4-bromo-1,2-phenylenediamine,4-bromo-2-aminoaniline,1,2-benzenediamine, 4-bromo,2-amino-4-bromophenylamine,4-bromophenylene-1,2-diamine |
| IUPAC Name | 4-bromobenzene-1,2-diamine |
| InChI Key | WIHHVKUARKTSBU-UHFFFAOYSA-N |
| Molecular Formula | C6H7BrN2 |
2-(3-Bromophenyl)ethyl Alcohol 98.0+%, TCI America™
CAS: 28229-69-8 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.06 MDL Number: MFCD00191857 InChI Key: PTTFLKHCSZSFOL-UHFFFAOYSA-N Synonym: 3-bromophenethyl alcohol,2-3-bromophenyl ethanol,2-3-bromophenyl ethan-1-ol,benzeneethanol, 3-bromo,3-bromophenethylalcohol,3-bromobenzeneethanol,3-2-hydroxyethyl bromobenzene,2-3-bromophenyl ethyl alcohol,pubchem14821,3-bromo-phenethyl-alcohol PubChem CID: 2734090 IUPAC Name: 2-(3-bromophenyl)ethan-1-ol SMILES: OCCC1=CC=CC(Br)=C1
| PubChem CID | 2734090 |
|---|---|
| CAS | 28229-69-8 |
| Molecular Weight (g/mol) | 201.06 |
| MDL Number | MFCD00191857 |
| SMILES | OCCC1=CC=CC(Br)=C1 |
| Synonym | 3-bromophenethyl alcohol,2-3-bromophenyl ethanol,2-3-bromophenyl ethan-1-ol,benzeneethanol, 3-bromo,3-bromophenethylalcohol,3-bromobenzeneethanol,3-2-hydroxyethyl bromobenzene,2-3-bromophenyl ethyl alcohol,pubchem14821,3-bromo-phenethyl-alcohol |
| IUPAC Name | 2-(3-bromophenyl)ethan-1-ol |
| InChI Key | PTTFLKHCSZSFOL-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
4-Bromo-2-fluorobenzonitrile 98.0+%, TCI America™
CAS: 105942-08-3 Molecular Formula: C7H3BrFN Molecular Weight (g/mol): 200.01 MDL Number: MFCD00143264 InChI Key: HGXWRDPQFZKOLZ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t PubChem CID: 736029 IUPAC Name: 4-bromo-2-fluorobenzonitrile SMILES: FC1=CC(Br)=CC=C1C#N
| PubChem CID | 736029 |
|---|---|
| CAS | 105942-08-3 |
| Molecular Weight (g/mol) | 200.01 |
| MDL Number | MFCD00143264 |
| SMILES | FC1=CC(Br)=CC=C1C#N |
| Synonym | 2-fluoro-4-bromobenzonitrile,4-bromo-2-fluoro-benzonitrile,benzonitrile, 4-bromo-2-fluoro,4-bromo-2-fluorobenzenecarbonitrile,4-cyano-3-fluorobromobenzene,pubchem3221,2-floro-4-bromobenzonitrile,4-bromo-2-fluorobenzontrile,4-bromo-6-fluorobenzonitrile,ksc490q4t |
| IUPAC Name | 4-bromo-2-fluorobenzonitrile |
| InChI Key | HGXWRDPQFZKOLZ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrFN |